8HPG
Crystal structure of phenylpyruvate reductase from Lactobacillus sp. CGMCC 9967
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-05-10 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.54184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 89.896, 48.970, 89.896 |
| Unit cell angles | 90.00, 116.72, 90.00 |
Refinement procedure
| Resolution | 23.490 - 3.895 |
| R-factor | 0.25875 |
| Rwork | 0.258 |
| R-free | 0.27950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.532 |
| Data reduction software | HKL-2000 |
| Data scaling software | Aimless |
| Phasing software | SHELXCD |
| Refinement software | REFMAC (5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.490 | 4.470 |
| High resolution limit [Å] | 3.890 | 3.890 |
| Rmerge | 0.141 | 0.371 |
| Rpim | 0.062 | |
| Number of reflections | 3064 | 925 |
| <I/σ(I)> | 7.29 | |
| Completeness [%] | 86.7 | 54.7 |
| Redundancy | 2 | 1.9 |
| CC(1/2) | 0.748 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 3.5 | 293.15 | PEG 1000, Citric acid, B-Nicotinamide adeinie dinucleotide |
